N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide

C20H28N2O2S — CID 24850159

IUPACN-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
SMILESCCCCc1ccc(CNc2ccc(NS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-4-5-6-17-7-9-18(10-8-17)15-21-19-11-13-20(14-12-19)22-25(23,24)16(2)3/h7-14,16,21-22H,4-6,15H2,1-3H3
InChIKeyOAMWFDMPHPJQHB-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.79
Rot. Bonds9

About N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide

N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide (PubChem CID 24850159) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
PubChem CID24850159
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
SMILESCCCCc1ccc(CNc2ccc(NS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-4-5-6-17-7-9-18(10-8-17)15-21-19-11-13-20(14-12-19)22-25(23,24)16(2)3/h7-14,16,21-22H,4-6,15H2,1-3H3
InChIKeyOAMWFDMPHPJQHB-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939271
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
N-[4-[(4-butylanilino)methyl]phenyl]-2-methylpropane-2-sulfinamide
CID 70939371
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide (CID 24850159) is N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide is CCCCc1ccc(CNc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide?
The InChIKey is OAMWFDMPHPJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-4-5-6-17-7-9-18(10-8-17)15-21-19-11-13-20(14-12-19)22-25(23,24)16(2)3/h7-14,16,21-22H,4-6,15H2,1-3H3.
What are the key properties of N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide?
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide has a molecular weight of 360.52 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 24850159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).